UCSF

ZINC22109359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 5.48 -51.06 3 6 1 69 353.446 6
Hi High (pH 8-9.5) 2.65 3.1 -16.65 2 6 0 68 352.438 6
Hi High (pH 8-9.5) 2.65 3.89 -46.16 1 6 -1 71 351.43 6
Mid Mid (pH 6-8) 2.65 5.49 -40.59 3 6 1 69 353.446 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )